5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one

C18H24N4O2 — CID 119546367

IUPAC5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCNCC1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-13-3-5-15(6-4-13)22-17(23)11-16(20-22)18(24)21-9-7-14(8-10-21)12-19-2/h3-6,11,14,19-20H,7-10,12H2,1-2H3
InChIKeySDKLBXNPSJUMEC-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.55
Rot. Bonds4

About 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one

5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 119546367) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
PubChem CID119546367
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCNCC1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)CC1
InChIInChI=1S/C18H24N4O2/c1-13-3-5-15(6-4-13)22-17(23)11-16(20-22)18(24)21-9-7-14(8-10-21)12-19-2/h3-6,11,14,19-20H,7-10,12H2,1-2H3
InChIKeySDKLBXNPSJUMEC-UHFFFAOYSA-N
XLogP1.55
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[[1-(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 164642882
[4-(methylaminomethyl)piperidin-1-yl]-[1-(4-methylphenyl)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 119545856
[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 119544374
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
[4-(methylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119544034
[4-(methylaminomethyl)piperidin-1-yl]-(3-methylphenyl)methanone;hydrochloride
CID 119545466
(4-bromo-1H-pyrrol-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250702
1H-indol-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63250609
methyl 1-[2-(4-chlorophenyl)-3-oxo-1H-pyrazole-5-carbonyl]-3-methoxypiperidine-4-carboxylate
CID 166324384
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-2H-isoquinolin-1-one;hydrochloride
CID 119542618
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1-[4-(methylaminomethyl)piperidin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 119544944

Frequently Asked Questions

What is the IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 119546367) is 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one is CNCC1CCN(C(=O)c2cc(=O)n(-c3ccc(C)cc3)[nH]2)CC1.
What is the InChIKey of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is SDKLBXNPSJUMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-3-5-15(6-4-13)22-17(23)11-16(20-22)18(24)21-9-7-14(8-10-21)12-19-2/h3-6,11,14,19-20H,7-10,12H2,1-2H3.
What are the key properties of 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one?
5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 328.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(methylaminomethyl)piperidine-1-carbonyl]-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 119546367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).